General Information of the Compound
| Compound ID |
CP0012927
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| Compound Name |
(2S)-1-N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-1,2-dicarboxamide
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| Formula |
C26H29N7O3
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| Molecular Weight |
487.564
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(NC(=O)N3CCC[C@H]3C(N)=O)cn2n1
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| InChI |
InChI=1S/C26H29N7O3/c1-14-10-17(11-18-12-32(25(35)23(14)18)15(2)16-5-6-16)19-7-8-22-28-21(13-33(22)30-19)29-26(36)31-9-3-4-20(31)24(27)34/h7-8,10-11,13,15-16,20H,3-6,9,12H2,1-2H3,(H2,27,34)(H,29,36)/t15-,20-/m0/s1
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| InChIKey |
JMKMHSNRONFZMG-YWZLYKJASA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform